SCHEMBL8559637

SCHEMBL8559637

COc1ccc(S(=O)(=O)[C@](N)(Cc2ccccc2)C(=O)NO)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.72
MMP1 P03956 19/20 0.72
MMP9 P14780 17/20 0.72
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ADAM17 P78536 5/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6929880 0.85 MMP1 (0.76) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6928874 0.84 MMP1 (1.00) MMP13MMP1MMP9MMP2MMP3
SCHEMBL8560568 0.80 MMP9 (0.51) MMP13MMP1MMP9MMP2
SCHEMBL27570064 0.78 MMP1 (0.64) MMP13MMP1MMP9MMP2MMP3
SCHEMBL8436167 0.78 MMP13 (0.54) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6928530 0.78 MMP13 (1.00) MMP13MMP1MMP9ADAM17
SCHEMBL7638340 0.78 MMP1 (0.64) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6932195 0.77 MMP13 (0.63) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7516170 0.77 GAA (0.49) MMP13MMP1MMP9ADAM17
SCHEMBL6934151 0.76 MMP13 (0.68) MMP13MMP1MMP9MMP2MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804593-A FOR TREATMENT OF CONNECTIVE TISSUE DEGRADATION, OSTEO-, RHEUMATOID-, AND SEPTIC ARTHRITIS; OSTEOPENIAS, OSTEOPOROSIS, CORNEAL ULCERATION, PERIDONTAL DISEASE, GASTRIC ULCERS. PHARMACIA & UPJOHN COMPANY (US) 1998-09-08 US disclosed